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262590-94-3 | 4H-1-Benzopyran-2-carboxylic acid, 6-chloro-7-methyl-4-oxo-
CAS No: 262590-94-3 Catalog No: AG002SH7 MDL No:MFCD01242618
Product Description
Catalog Number:
AG002SH7
Chemical Name:
4H-1-Benzopyran-2-carboxylic acid, 6-chloro-7-methyl-4-oxo-
CAS Number:
262590-94-3
Molecular Formula:
C11H7ClO4
Molecular Weight:
238.6239
MDL Number:
MFCD01242618
IUPAC Name:
6-chloro-7-methyl-4-oxochromene-2-carboxylic acid
InChI:
InChI=1S/C11H7ClO4/c1-5-2-9-6(3-7(5)12)8(13)4-10(16-9)11(14)15/h2-4H,1H3,(H,14,15)
InChI Key:
UAOFSXACYWSXCJ-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(=O)c2c(o1)cc(c(c2)Cl)C
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.003g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
238.623g/mol
Monoisotopic Mass:
238.003g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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